ethyl (E)-2-cyano-3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]prop-2-enoate Openeye Name: ethyl (E)-3-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-cyano-acrylic acid ethyl ester Formula: C18H24N3O2+ MolecularWeight: 314.40206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1CC[NH+](CC1)CC2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1CC[NH+](CC1)CC2=CC=CC=C2)/C#N

InChI

InChI=1S/C18H23N3O2/c1-2-23-18(22)16(12-19)13-20-17-8-10-21(11-9-17)14-15-6-4-3-5-7-15/h3-7,13,17,20H,2,8-11,14H2,1H3/p+1/b16-13+